CHEBI:87508 - 4-penten-2-one

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ChEBI Name 4-penten-2-one
ChEBI ID CHEBI:87508
Definition A methyl ketone that is pent-1-ene substituted by an oxo group at position 4.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C5H8O
Net Charge 0
Average Mass 84.11640
Monoisotopic Mass 84.05751
InChI InChI=1S/C5H8O/c1-3-4-5(2)6/h3H,1,4H2,2H3
InChIKey PNJWIWWMYCMZRO-UHFFFAOYSA-N
SMILES CC(=O)CC=C
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
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ChEBI Ontology
Outgoing 4-penten-2-one (CHEBI:87508) has role metabolite (CHEBI:25212)
4-penten-2-one (CHEBI:87508) is a methyl ketone (CHEBI:51867)
4-penten-2-one (CHEBI:87508) is a olefinic compound (CHEBI:78840)
IUPAC Name
pent-4-en-2-one
Manual Xref Database
HMDB0031606 HMDB
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Registry Numbers Types Sources
1098406 Reaxys Registry Number Reaxys
13891-87-7 CAS Registry Number ChemIDplus
Citation Waiting for Citations Type Source
11667814 PubMed citation Europe PMC
Last Modified
17 August 2015